Information card for entry 7104695

Structure parameters

• Formula: C27 H19 N
• Calculated formula: C27 H19 N
• SMILES: N(=C\1C(=C(c2ccccc12)c1ccccc1)c1ccccc1)\c1ccccc1
• Title of publication: Rhodium-catalyzed oxidative coupling of aromatic imines with internal alkynes via regioselective C‒H bond cleavage
• Authors of publication: Tatsuya Fukutani; Nobuyoshi Umeda; Koji Hirano; Tetsuya Satoh; Masahiro Miura
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Journal volume: 34
• Pages of publication: 5141 - 5143
• a: 9.8978 ± 0.0008 Å
• b: 9.7275 ± 0.001 Å
• c: 10.0052 ± 0.0009 Å
• α: 90°
• β: 95.038 ± 0.007°
• γ: 90°
• Cell volume: 959.59 ± 0.15 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No